4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide

C13H11BrClNO3S — CID 61036715

IUPAC4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
SMILESCc1cccc(O)c1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H11BrClNO3S/c1-8-3-2-4-11(17)13(8)16-20(18,19)12-6-5-9(14)7-10(12)15/h2-7,16-17H,1H3
InChIKeyWKDBTLKYLAMTLZ-UHFFFAOYSA-N
MW376.66 g/mol
LogP3.92
Rot. Bonds3

About 4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide

4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide (PubChem CID 61036715) has the molecular formula C13H11BrClNO3S and a molecular weight of 376.66 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
PubChem CID61036715
Molecular FormulaC13H11BrClNO3S
Molecular Weight376.66 g/mol
Exact Mass374.93
IUPAC Name4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
SMILESCc1cccc(O)c1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H11BrClNO3S/c1-8-3-2-4-11(17)13(8)16-20(18,19)12-6-5-9(14)7-10(12)15/h2-7,16-17H,1H3
InChIKeyWKDBTLKYLAMTLZ-UHFFFAOYSA-N
XLogP3.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.66
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794050
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
4-bromo-N-(2-bromo-6-fluorophenyl)-2-chlorobenzenesulfonamide
CID 103822964
2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 80698371
2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 61216757
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 81421854
4-bromo-2-chloro-N-(3-iodophenyl)benzenesulfonamide
CID 60640731
4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide
CID 7939182
N-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 154381211
4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900
N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 3697865

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide (CID 61036715) is 4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide is Cc1cccc(O)c1NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide?
The InChIKey is WKDBTLKYLAMTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO3S/c1-8-3-2-4-11(17)13(8)16-20(18,19)12-6-5-9(14)7-10(12)15/h2-7,16-17H,1H3.
What are the key properties of 4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide has a molecular weight of 376.66 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 61036715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).